N-[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[6-chloro-2-(p-tolyl)benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[6-chloro-2-(p-tolyl)benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C25H23ClN6O3 MolecularWeight: 490.94152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H23ClN6O3/c1-16-5-8-18(9-6-16)31-28-21-14-19(26)20(15-22(21)29-31)27-25(33)17-7-10-23(24(13-17)32(34)35)30-11-3-2-4-12-30/h5-10,13-15H,2-4,11-12H2,1H3,(H,27,33)